N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine

C13H21NO2 — CID 43457063

IUPACN-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCOCC)c1
InChIInChI=1S/C13H21NO2/c1-3-14-11-12-6-5-7-13(10-12)16-9-8-15-4-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeySEDBJHAVSJRWFT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds8

About N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine

N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine (PubChem CID 43457063) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
PubChem CID43457063
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCOCC)c1
InChIInChI=1S/C13H21NO2/c1-3-14-11-12-6-5-7-13(10-12)16-9-8-15-4-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3
InChIKeySEDBJHAVSJRWFT-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine (CID 43457063) is N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCCOCC)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine?
The InChIKey is SEDBJHAVSJRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-14-11-12-6-5-7-13(10-12)16-9-8-15-4-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine?
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43457063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).